2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline

C17H14BrN — CID 6284937

IUPAC2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline
SMILESCNc1ccc(/C=C2\C=Cc3ccccc32)cc1Br
InChIInChI=1S/C17H14BrN/c1-19-17-9-6-12(11-16(17)18)10-14-8-7-13-4-2-3-5-15(13)14/h2-11,19H,1H3/b14-10+
InChIKeySJZUDCRSPDTUAH-GXDHUFHOSA-N
MW312.21 g/mol
LogP5.06
Rot. Bonds2

About 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline

2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline (PubChem CID 6284937) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline.

Molecular Properties

Compound Name2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline
PubChem CID6284937
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline
SMILESCNc1ccc(/C=C2\C=Cc3ccccc32)cc1Br
InChIInChI=1S/C17H14BrN/c1-19-17-9-6-12(11-16(17)18)10-14-8-7-13-4-2-3-5-15(13)14/h2-11,19H,1H3/b14-10+
InChIKeySJZUDCRSPDTUAH-GXDHUFHOSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.21
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline?
The IUPAC name of 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline (CID 6284937) is 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline.
What is the SMILES notation for 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline?
The canonical SMILES for 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline is CNc1ccc(/C=C2\C=Cc3ccccc32)cc1Br.
What is the InChIKey of 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline?
The InChIKey is SJZUDCRSPDTUAH-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H14BrN/c1-19-17-9-6-12(11-16(17)18)10-14-8-7-13-4-2-3-5-15(13)14/h2-11,19H,1H3/b14-10+.
What are the key properties of 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline?
2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline has a molecular weight of 312.21 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline is sourced from PubChem (CID 6284937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).